(1R)-1-[(3aR,5R,6S,6aR)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-morpholin-4-ylethanol

C14H25NO6 — CID 10662199

IUPAC(1R)-1-[(3aR,5R,6S,6aR)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-morpholin-4-ylethanol
SMILESCO[C@@H]1[C@H]2OC(C)(C)O[C@H]2O[C@@H]1[C@H](O)CN1CCOCC1
InChIInChI=1S/C14H25NO6/c1-14(2)20-12-11(17-3)10(19-13(12)21-14)9(16)8-15-4-6-18-7-5-15/h9-13,16H,4-8H2,1-3H3/t9-,10-,11+,12-,13-/m1/s1
InChIKeyMMMOKELWCYPVGK-UJPOAAIJSA-N
MW303.36 g/mol
LogP-0.43
Rot. Bonds4

About (1R)-1-[(3aR,5R,6S,6aR)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-morpholin-4-ylethanol

(1R)-1-[(3aR,5R,6S,6aR)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-morpholin-4-ylethanol (PubChem CID 10662199) has the molecular formula C14H25NO6 and a molecular weight of 303.36 g/mol. Its IUPAC name is (1R)-1-[(3aR,5R,6S,6aR)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-morpholin-4-ylethanol.

Molecular Properties

Compound Name(1R)-1-[(3aR,5R,6S,6aR)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-morpholin-4-ylethanol
PubChem CID10662199
Molecular FormulaC14H25NO6
Molecular Weight303.36 g/mol
Exact Mass303.17
IUPAC Name(1R)-1-[(3aR,5R,6S,6aR)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-morpholin-4-ylethanol
SMILESCO[C@@H]1[C@H]2OC(C)(C)O[C@H]2O[C@@H]1[C@H](O)CN1CCOCC1
InChIInChI=1S/C14H25NO6/c1-14(2)20-12-11(17-3)10(19-13(12)21-14)9(16)8-15-4-6-18-7-5-15/h9-13,16H,4-8H2,1-3H3/t9-,10-,11+,12-,13-/m1/s1
InChIKeyMMMOKELWCYPVGK-UJPOAAIJSA-N
XLogP-0.43
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 5-0.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (1R)-1-[(3aR,5R,6S,6aR)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-morpholin-4-ylethanol with MolForge

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Related Compounds

2-[dodecyl-[[(1S,2R,6R,8R,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]methyl]amino]ethanol
CID 24810001
(2R,3R,4R,5S)-1-[4-(2,2-dimethyl-1,3-dioxolan-4-yl)butyl]-2-(hydroxymethyl)piperidine-3,4,5-triol
CID 503979
2-[octyl-[[(1S,2R,6R,8R,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]methyl]amino]ethanol
CID 44437671
2-[decyl-[[(1S,2R,6R,8R,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]methyl]amino]ethanol
CID 44437672
2-[tetradecyl-[[(1S,2R,6R,8R,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]methyl]amino]ethanol
CID 44437673
2-[hexadecyl-[[(1S,2R,6R,8R,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]methyl]amino]ethanol
CID 44437674
(2R,3S,4S,5R,6S)-2-[[(2S,6S)-2-(hydroxymethyl)-6-methoxymorpholin-4-yl]methyl]-6-methoxyoxane-3,4,5-triol
CID 56678512
Casuarine-6-alpha-glucoside
CID 384348
Camiglibose Anhydrous
CID 9905901
[(3aR,6R,6aR)-3,5-dihydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-trimethylazanium bromide
CID 45109728
(2R,3R,4R,5S)-2-(hydroxymethyl)-1-[[(3R,4R,5S,6R)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]methyl]piperidine-3,4,5-triol
CID 129682445
2-[Ethyl-[(4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl)methyl]amino]ethanol
CID 412309

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[(3aR,5R,6S,6aR)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-morpholin-4-ylethanol?
The IUPAC name of (1R)-1-[(3aR,5R,6S,6aR)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-morpholin-4-ylethanol (CID 10662199) is (1R)-1-[(3aR,5R,6S,6aR)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-morpholin-4-ylethanol.
What is the SMILES notation for (1R)-1-[(3aR,5R,6S,6aR)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-morpholin-4-ylethanol?
The canonical SMILES for (1R)-1-[(3aR,5R,6S,6aR)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-morpholin-4-ylethanol is CO[C@@H]1[C@H]2OC(C)(C)O[C@H]2O[C@@H]1[C@H](O)CN1CCOCC1.
What is the InChIKey of (1R)-1-[(3aR,5R,6S,6aR)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-morpholin-4-ylethanol?
The InChIKey is MMMOKELWCYPVGK-UJPOAAIJSA-N. The full InChI is InChI=1S/C14H25NO6/c1-14(2)20-12-11(17-3)10(19-13(12)21-14)9(16)8-15-4-6-18-7-5-15/h9-13,16H,4-8H2,1-3H3/t9-,10-,11+,12-,13-/m1/s1.
What are the key properties of (1R)-1-[(3aR,5R,6S,6aR)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-morpholin-4-ylethanol?
(1R)-1-[(3aR,5R,6S,6aR)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-morpholin-4-ylethanol has a molecular weight of 303.36 g/mol, XLogP of -0.43, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[(3aR,5R,6S,6aR)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-morpholin-4-ylethanol is sourced from PubChem (CID 10662199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).